N4-(4-ethoxyphenyl)-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-ethoxyphenyl)-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-ethoxyphenyl)-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4,6-triamine CAS Name: N4-(4-ethoxyphenyl)-N2-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-ethoxyphenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N6O3/c1-3-29-16-10-8-15(9-11-16)23-19-17(26(27)28)18(21)24-20(25-19)22-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24,25)